ChemSpider 2D Image | 2-{[4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide | C27H26N6O4S2

2-{[4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

  • Molecular FormulaC27H26N6O4S2
  • Average mass562.663 Da
  • Monoisotopic mass562.145691 Da
  • ChemSpider ID12238105

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-{[4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-{[4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide [ACD/IUPAC Name]
2-{[4-Amino-5-(3,4,5-triméthoxyphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-méthyl-1,3-benzothiazol-2-yl)phényl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-[4-(6-methyl-2-benzothiazolyl)phenyl]- [ACD/Index Name]
2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(6-methylbenzothiazol-2-yl)phenyl]acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.703
Molar Refractivity: 152.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.48
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 840.30
ACD/KOC (pH 5.5): 4314.20
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 840.38
ACD/KOC (pH 7.4): 4314.56
Polar Surface Area: 180 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 392.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement